diffpy.structure 3.2.3__tar.gz → 3.3.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (93) hide show
  1. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/PKG-INFO +3 -3
  2. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/pyproject.toml +2 -2
  3. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/PKG-INFO +3 -3
  4. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/AUTHORS.rst +0 -0
  5. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/LICENSE.rst +0 -0
  6. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/LICENSE_DANSE.rst +0 -0
  7. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/LICENSE_pymmlib.rst +0 -0
  8. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/MANIFEST.in +0 -0
  9. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/README.rst +0 -0
  10. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/requirements/build.txt +0 -0
  11. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/requirements/conda.txt +0 -0
  12. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/requirements/docs.txt +0 -0
  13. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/requirements/pip.txt +0 -0
  14. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/requirements/test.txt +0 -0
  15. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/setup.cfg +0 -0
  16. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/__init__.py +0 -0
  17. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/__init__.py +0 -0
  18. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/_legacy_importer.py +0 -0
  19. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/apps/__init__.py +0 -0
  20. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/apps/anyeye.py +0 -0
  21. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/apps/transtru.py +0 -0
  22. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/atom.py +0 -0
  23. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/expansion/__init__.py +0 -0
  24. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/expansion/makeellipsoid.py +0 -0
  25. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/expansion/shapeutils.py +0 -0
  26. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/expansion/supercell_mod.py +0 -0
  27. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/lattice.py +0 -0
  28. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/mmlibspacegroups.py +0 -0
  29. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/__init__.py +0 -0
  30. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_auto.py +0 -0
  31. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_cif.py +0 -0
  32. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_discus.py +0 -0
  33. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_pdb.py +0 -0
  34. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_pdffit.py +0 -0
  35. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_rawxyz.py +0 -0
  36. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_xcfg.py +0 -0
  37. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/p_xyz.py +0 -0
  38. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/parser_index_mod.py +0 -0
  39. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/parsers/structureparser.py +0 -0
  40. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/pdffitstructure.py +0 -0
  41. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/sgtbxspacegroups.py +0 -0
  42. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/spacegroupmod.py +0 -0
  43. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/spacegroups.py +0 -0
  44. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/structure.py +0 -0
  45. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/structureerrors.py +0 -0
  46. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/symmetryutilities.py +0 -0
  47. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/utils.py +0 -0
  48. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy/structure/version.py +0 -0
  49. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/SOURCES.txt +0 -0
  50. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/dependency_links.txt +0 -0
  51. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/entry_points.txt +0 -0
  52. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/requires.txt +0 -0
  53. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/top_level.txt +0 -0
  54. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/conftest.py +0 -0
  55. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_atom.py +0 -0
  56. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_lattice.py +0 -0
  57. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_loadstructure.py +0 -0
  58. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_p_cif.py +0 -0
  59. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_p_discus.py +0 -0
  60. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_p_pdffit.py +0 -0
  61. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_parsers.py +0 -0
  62. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_spacegroups.py +0 -0
  63. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_structure.py +0 -0
  64. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_supercell.py +0 -0
  65. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_symmetryutilities.py +0 -0
  66. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/test_version.py +0 -0
  67. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/BubbleRaftShort.xcfg +0 -0
  68. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/CdSe_bulk.stru +0 -0
  69. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/LiCl-bad.cif +0 -0
  70. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/Ni-bad.stru +0 -0
  71. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/Ni-discus.stru +0 -0
  72. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/Ni.stru +0 -0
  73. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/Ni_prim123.stru +0 -0
  74. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/Ni_ref.cif +0 -0
  75. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/PbTe.cif +0 -0
  76. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/TeI-unkocc.cif +0 -0
  77. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/TeI.cif +0 -0
  78. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/ZnSb_RT_Q28X_VM_20_fxiso.rstr +0 -0
  79. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/arginine.pdb +0 -0
  80. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/badspacegroup.cif +0 -0
  81. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky-bad1.xyz +0 -0
  82. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky-bad2.xyz +0 -0
  83. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky-plain-bad.xyz +0 -0
  84. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky-plain.xyz +0 -0
  85. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky-raw.xyz +0 -0
  86. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/bucky.xyz +0 -0
  87. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/curlybrackets.cif +0 -0
  88. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/customsg.cif +0 -0
  89. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/graphite.cif +0 -0
  90. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/hexagon-raw-bad.xyz +0 -0
  91. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/hexagon-raw.xy +0 -0
  92. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/hexagon-raw.xyz +0 -0
  93. {diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/tests/testdata/nosites.cif +0 -0
{diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: diffpy.structure
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- Version: 3.2.3
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+ Version: 3.3.0
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  Summary: Crystal structure container and parsers for structure formats.
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  Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
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  Maintainer-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
@@ -16,12 +16,12 @@ Classifier: Operating System :: MacOS :: MacOS X
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  Classifier: Operating System :: Microsoft :: Windows
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  Classifier: Operating System :: POSIX
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  Classifier: Operating System :: Unix
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- Classifier: Programming Language :: Python :: 3.10
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  Classifier: Programming Language :: Python :: 3.11
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  Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: Topic :: Scientific/Engineering :: Chemistry
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- Requires-Python: <3.13,>=3.10
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+ Requires-Python: <3.14,>=3.11
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  Description-Content-Type: text/x-rst
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  License-File: LICENSE.rst
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  License-File: LICENSE_DANSE.rst
{diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/pyproject.toml RENAMED
@@ -14,7 +14,7 @@ maintainers = [
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  description = "Crystal structure container and parsers for structure formats."
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  keywords = ['diffpy', 'crystal structure data storage CIF PDB']
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  readme = "README.rst"
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- requires-python = ">=3.10, <3.13"
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+ requires-python = ">=3.11, <3.14"
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  classifiers = [
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  'Development Status :: 5 - Production/Stable',
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  'Environment :: Console',
@@ -25,9 +25,9 @@ classifiers = [
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  'Operating System :: Microsoft :: Windows',
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  'Operating System :: POSIX',
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  'Operating System :: Unix',
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- 'Programming Language :: Python :: 3.10',
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  'Programming Language :: Python :: 3.11',
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  'Programming Language :: Python :: 3.12',
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+ 'Programming Language :: Python :: 3.13',
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  'Topic :: Scientific/Engineering :: Physics',
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  'Topic :: Scientific/Engineering :: Chemistry',
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  ]
{diffpy_structure-3.2.3 → diffpy_structure-3.3.0}/src/diffpy.structure.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: diffpy.structure
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- Version: 3.2.3
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+ Version: 3.3.0
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  Summary: Crystal structure container and parsers for structure formats.
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  Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
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  Maintainer-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
@@ -16,12 +16,12 @@ Classifier: Operating System :: MacOS :: MacOS X
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  Classifier: Operating System :: Microsoft :: Windows
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  Classifier: Operating System :: POSIX
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  Classifier: Operating System :: Unix
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- Classifier: Programming Language :: Python :: 3.10
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  Classifier: Programming Language :: Python :: 3.11
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  Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: Topic :: Scientific/Engineering :: Chemistry
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- Requires-Python: <3.13,>=3.10
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+ Requires-Python: <3.14,>=3.11
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  Description-Content-Type: text/x-rst
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  License-File: LICENSE.rst
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  License-File: LICENSE_DANSE.rst